N-Cbz-d-alanine

Z-D-ALA-OH · Z-D-ALA · CBZ-D-Ala · CBZ-D-ALA-OH · CBZ-D-ALANINE · (2R)-2-{[(benzyloxy)carbonyl]amino}propanoic acid · N-CARBOBENZOXY-D-ALANINE · N-Carbobenzyloxy-D-alanine

https://huagongshe.com/ko/chemical/70832

식별자 및 물리적 특성

CAS No.	26607-51-2
분자식	C11H13NO4
평균 분자량	223.22 g/mol
단동위원소 질량	223.0844579 g/mol
SMILES	C[C@@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey	TYRGLVWXHJRKMT-MRVPVSSYSA-N
PubChem CID	70832
ChEMBL	CHEMBL367937
EC No.	688-913-6

화학 및 물리적 성질

XLogP	1.4
극성 표면적	75.6
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	5
무거운 원자 수	16
형식 전하	0
복잡도	248
녹는점	83-84°C
끓는 점	422.1±38.0 °C(Predicted)
밀도	1.246±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	almost transparency in Methanol
물리적 상태	결정성 분말
pKa(산도 계수)	4.00±0.10(Predicted)
색상	흰색에서 황백색까지
BRN	2056163
InChI	InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey	TYRGLVWXHJRKMT-MRVPVSSYSA-N
SMILES	C(O)(=O)[C@@H](C)NC(OCC1=CC=CC=C1)=O

화학적 성질

White to off-white solid

안전 및 규제

GHS 분류	Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Not Classified
수질 위해 등급(WGK)	3
관세 코드	29224999
안전 문구(S)	22-24/25

용도

N-Cbz-D-alanine is the Cbz-protected form of D-Alanine (A480995). D-Alanine is an amino acid that is commonly found in bacteria, such as Streptococcus faecalis. It is essential for the biosynthesis of peptidoglycan crosslinking sub-units that are used for bacterial cell walls. D-Alanine is also known to cause cytotoxic oxidative stress in brain tumour cells.